Information card for entry 7243588

Structure parameters

• Common name: bis(phthalocyaninato)-lanthanum
• Chemical name: (phthalocyaninato)-(phthalocyaninato-radical)-lathanum(III)
• Formula: C64 H32 La N16
• Calculated formula: C64 H32 La N16
• Title of publication: Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs
• Authors of publication: Dailey, Maegan; Besson, Claire
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 40
• Pages of publication: 7151 - 7161
• a: 19.9227 ± 0.0006 Å
• b: 19.9227 ± 0.0006 Å
• c: 6.3925 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2537.27 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 126
• Hermann-Mauguin space group symbol: P 4/n n c :2
• Hall space group symbol: -P 4a 2bc
• Residual factor for all reflections: 0.0948
• Residual factor for significantly intense reflections: 0.0803
• Weighted residual factors for significantly intense reflections: 0.2442
• Weighted residual factors for all reflections included in the refinement: 0.2526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.932
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No